N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine

C15H17ClN2 — CID 63389648

IUPACN-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
SMILESClCCN(Cc1ccccc1)Cc1cccnc1
InChIInChI=1S/C15H17ClN2/c16-8-10-18(12-14-5-2-1-3-6-14)13-15-7-4-9-17-11-15/h1-7,9,11H,8,10,12-13H2
InChIKeyAUFHDTZBWGBSPG-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.32
Rot. Bonds6

About N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine

N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 63389648) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID63389648
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
SMILESClCCN(Cc1ccccc1)Cc1cccnc1
InChIInChI=1S/C15H17ClN2/c16-8-10-18(12-14-5-2-1-3-6-14)13-15-7-4-9-17-11-15/h1-7,9,11H,8,10,12-13H2
InChIKeyAUFHDTZBWGBSPG-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
CID 138396514
N,N'-dibenzyl-N,N'-bis(2-chloroethyl)hexane-1,6-diamine;hydrochloride
CID 54598955
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 91784965
N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)ethanamine;dihydrochloride
CID 22335194
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
(E)-N-benzyl-3-chloro-N-(2-chloroethyl)prop-2-en-1-amine
CID 107900965
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
CID 74229300
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
N-benzyl-N-[(3-bromophenyl)methyl]-2-chloroethanamine
CID 55182943

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine (CID 63389648) is N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine is ClCCN(Cc1ccccc1)Cc1cccnc1.
What is the InChIKey of N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is AUFHDTZBWGBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-8-10-18(12-14-5-2-1-3-6-14)13-15-7-4-9-17-11-15/h1-7,9,11H,8,10,12-13H2.
What are the key properties of N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine?
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 63389648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).